SCHEMBL7672296

SCHEMBL7672296

CC(C)(NC(=O)c1ccccc1O)C(C)(C)NC(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.59
MPO P05164 1/20 0.59
HIF1A Q16665 1/20 0.59
LMNA P02545 8/20 0.53
HTT P42858 5/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 5/20 0.53
NPC1 O15118 5/20 0.53
TP53 P04637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
MAPK1 P28482 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7757842 0.88 KDM4E (0.59) KDM4ESMN1; SMN2GAAMPOHIF1A
Bromide SCHEMBL6849900 0.86 KDM4E (0.57) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL28857264 0.85 KDM4E (0.55) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL14036676 0.82 NPSR1 (0.60) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL6213988 0.80 LMNA (0.53) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL3414758 0.80 CA1 (0.51) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL27321433 0.80 KDM4E (0.59) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL7586997 0.78 KDM4E (0.52) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL6633938 0.77 CA1 (0.56) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL1799299 0.77 KDM4E (0.65) KDM4ESMN1; SMN2GAAMPOHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395904-B1 HYDROXYAMIDE COMPLEXES WITH IRON YALE UNIVERSITY 2002-05-28 US disclosed
WO-1999010357-A1 BINUCLEAR NON-HEME IRON CATALYSTS YALE UNIVERSITY (US) 1999-03-04 WO disclosed